numpy>=2.0
scipy
matplotlib>=3.9.4
pymatgen>=2025.2.18
sumo>=3.0
castepxbin>=0.3.1
ipywidgets

[dev]
pytest
pytest-cov
ruff
mypy
pre-commit
build
twine

[docs]
sphinx
sphinx-wagtail-theme
myst-nb

[interactive]
ipympl

[tutorial]
jupyterlab
ipykernel
nbformat
ipympl
